N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC)C(=O)N2

InChI

InChI=1S/C21H17N3O3S/c1-12-5-7-18-16(10-12)24-20(26)15-11-13(6-8-17(15)27-18)23-19(25)14-4-3-9-22-21(14)28-2/h3-11H,1-2H3,(H,23,25)(H,24,26)